9BO4
Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with Nirmatrelvir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | 3C-like proteinase | polymer | 306 | 33837.6 | 2 | UniProt (P0DTC1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 | 3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase |
| 2 | C, D (A, B) | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | non-polymer | 501.5 | 2 | Chemie (4WI) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 57 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Ile 21 | Thr 3284 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67675.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1003.1 | |
| All* | Total formula weight | 68678.3 |
